Bolt H L, Williams C E J, Brooks R V, Zuckermann R N, Cobb S L, Bromley E H C
Department of Chemistry, Durham University, South Road, Durham, DH1 3LE, United Kingdom.
Department of Physics, Durham University, South Road, Durham, DH1 3LE, United Kingdom.
Biopolymers. 2017 Jul;108(4). doi: 10.1002/bip.23014.
Hydrophobicity has proven to be an extremely useful parameter in small molecule drug discovery programmes given that it can be used as a predictive tool to enable rational design. For larger molecules, including peptoids, where folding is possible, the situation is more complicated and the average hydrophobicity (as determined by RP-HPLC retention time) may not always provide an effective predictive tool for rational design. Herein, we report the first ever application of partitioning experiments to determine the log D values for a series of peptoids. By comparing log D and average hydrophobicities we highlight the potential advantage of employing the former as a predictive tool in the rational design of biologically active peptoids.
鉴于疏水性可作为一种预测工具用于合理设计，它已被证明在小分子药物发现项目中是一个极其有用的参数。对于更大的分子，包括可能发生折叠的类肽，情况更为复杂，平均疏水性（由反相高效液相色谱保留时间确定）可能并不总是能为合理设计提供有效的预测工具。在此，我们报告了首次应用分配实验来确定一系列类肽的log D值。通过比较log D值和平均疏水性，我们突出了将前者用作生物活性类肽合理设计预测工具的潜在优势。
